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CHEBI:219972 - Indocarbazostatin B

ChEBI IDCHEBI:219972
ChEBI NameIndocarbazostatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22N4O7
Net Charge0
Average Mass526.505
Monoisotopic Mass526.14885
SMILESCCOC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(O)c(N)c3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O
InChIInChI=1S/C28H22N4O7/c1-3-38-26(36)28(37)10-15-31-12-7-5-4-6-11(12)16-19-20(25(35)30-24(19)34)18-17-13(8-9-14(33)21(17)29)32(23(18)22(16)31)27(28,2)39-15/h4-9,15,33,37H,3,10,29H2,1-2H3,(H,30,34,35)/t15-,27+,28-/m1/s1
InChIKeyVEXMHCAEEISMPG-ZXOINBKBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (12061542)
ChEBI Ontology
Outgoing Relation(s)
Indocarbazostatin B (CHEBI:219972) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
ethyl (15S,16S,18R)-9-amino-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20,22,24,26-nonaene-16-carboxylate
Manual XrefsDatabases
8134118ChemSpider